Mol:FL5FAAGS0131

From Metabolomics.JP
Revision as of 09:00, 7 October 2008 by Editor (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

FL5FAAGS0131.png 

<pre>

Copyright: ARM project http://www.metabolome.jp/
 64 70  0  0  0  0  0  0  0  0999 V2000
    2.8020    4.7453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8020    3.9204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5164    3.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2308    3.9204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2308    4.7453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5164    5.1578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    3.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3730    3.9204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586    3.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586    2.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3730    2.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    2.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0558    3.9204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7703    3.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7703    2.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0558    2.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3730    1.5521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4848    3.9204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7651    2.2481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8315    5.0921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0558    1.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2466    4.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8340    3.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0357    4.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2422    3.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6547    4.4894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4531    4.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7531    4.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3980    4.8737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8315    4.2494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4463    3.8850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5870    3.3602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8777    1.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8008    0.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4274    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2402    0.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3172    1.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6905    1.1482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4288    0.1610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2275   -0.0809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2641    0.1470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2881    0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1553   -2.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9672   -2.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0386   -1.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5191   -0.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7073   -0.7115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6357   -1.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0944   -1.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8180   -2.3616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6781   -2.7246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8738   -0.8905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2128   -3.0119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7229   -3.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1388   -4.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8990   -3.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4871   -4.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3368   -4.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7493   -3.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5742   -3.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9867   -4.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5742   -5.1578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7493   -5.1578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8106   -4.4433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 10  1  0  0  0  0
 14 18  1  0  0  0  0
 11 17  2  0  0  0  0
 12 19  1  0  0  0  0
  5 20  1  0  0  0  0
 16 21  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  1  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 22 30  1  0  0  0  0
 23 31  1  0  0  0  0
 24 32  1  0  0  0  0
 25 18  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  1  0  0  0
 36 35  1  1  0  0  0
 37 36  1  1  0  0  0
 37 38  1  0  0  0  0
 38 33  1  0  0  0  0
 36 39  1  0  0  0  0
 35 40  1  0  0  0  0
 34 41  1  0  0  0  0
 33 42  1  0  0  0  0
 37 19  1  0  0  0  0
 43 44  1  1  0  0  0
 44 45  1  1  0  0  0
 46 45  1  1  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 43  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 44 51  1  0  0  0  0
 45 52  1  0  0  0  0
 46 39  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  2  0  0  0  0
 54 56  1  0  0  0  0
 56 57  2  0  0  0  0
 57 58  1  0  0  0  0
 58 59  2  0  0  0  0
 59 60  1  0  0  0  0
 60 61  2  0  0  0  0
 61 62  1  0  0  0  0
 62 63  2  0  0  0  0
 63 58  1  0  0  0  0
 61 64  1  0  0  0  0
 53 43  1  0  0  0  0
S  SKP  5
ID	FL5FAAGS0131
FORMULA	C42H46O22
EXACTMASS	902.248073156
AVERAGEMASS	902.80144
SMILES	C(O3)(c(c7)ccc(c7)O)=C(OC(C(OC(C(O)5)OC(C(OC(=O)C=Cc(c6)ccc(O)c6)C5O)CO)4)OC(C(O)C4O)C)C(c(c23)c(O)cc(c2)OC(O1)C(O)C(O)C(C1CO)O)=O
M  END

</pre>

Retrieved from "http://metabolomics.jp/mediawiki/index.php?title=Mol:FL5FAAGS0131&oldid=188436"
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox